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CHEBI:148820 - CID 91850826

ChEBI IDCHEBI:148820
ChEBI NameCID 91850826
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC132H219N9O95
Net Charge0
Average Mass3452.172
Monoisotopic Mass3450.25824
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/5,19,18/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-1-4-1-4-3-1-4-1-4-1-4-5/a4-b1_a6-s1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f3-g1_h4-i1_i3-j1_j4-k1_l2-m1_l6-o1_m4-n1_o4-p1_p3-q1_q4-r1
InChIInChI=1S/C132H219N9O95/c1-29-66(166)85(185)90(190)123(203-29)201-28-56-107(77(177)57(114(199)204-56)133-30(2)157)223-118-61(137-34(6)161)80(180)105(51(23-154)214-118)230-130-98(198)111(75(175)55(220-130)27-202-131-112(235-121-64(140-37(9)164)83(183)102(49(21-152)217-121)226-126-93(193)88(188)70(170)42(14-145)208-126)89(189)71(171)54(221-131)26-200-115-59(135-32(4)159)78(178)99(46(18-149)212-115)227-127-96(196)109(73(173)44(16-147)209-127)232-119-62(138-35(7)162)81(181)100(47(19-150)215-119)224-124-91(191)86(186)68(168)40(12-143)206-124)234-132-113(236-122-65(141-38(10)165)84(184)104(52(24-155)218-122)229-128-95(195)108(72(172)43(15-146)210-128)231-116-58(134-31(3)158)76(176)67(167)39(11-142)205-116)94(194)106(53(25-156)219-132)222-117-60(136-33(5)160)79(179)103(50(22-153)213-117)228-129-97(197)110(74(174)45(17-148)211-129)233-120-63(139-36(8)163)82(182)101(48(20-151)216-120)225-125-92(192)87(187)69(169)41(13-144)207-125/h29,39-132,142-156,166-199H,11-28H2,1-10H3,(H,133,157)(H,134,158)(H,135,159)(H,136,160)(H,137,161)(H,138,162)(H,139,163)(H,140,164)(H,141,165)/t29-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68-,69-,70-,71+,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86-,87-,88-,89-,90-,91+,92+,93+,94-,95+,96+,97+,98-,99+,100+,101+,102+,103+,104+,105+,106+,107+,108-,109-,110-,111-,112-,113-,114+,115+,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,127-,128-,129-,130-,131-,132+/m0/s1
InChIKeyUCQJURCQHFTHHP-KCVWVOIQSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91850826 (CHEBI:148820) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-4)[GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G24155DWGlyTouCan
G24155DWGlyGen